CID 166445

74499-60-8

Structural Information

Molecular Formula
C15H20O
SMILES
CCC(=O)C1CCC(C2=CC=CC=C12)(C)C
InChI
InChI=1S/C15H20O/c1-4-14(16)12-9-10-15(2,3)13-8-6-5-7-11(12)13/h5-8,12H,4,9-10H2,1-3H3
InChIKey
GNONYQJSCSRZOC-UHFFFAOYSA-N
Compound name
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

25
Patents

216.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15869 150.9
[M+Na]+ 239.14063 164.0
[M+NH4]+ 234.18523 162.0
[M+K]+ 255.11457 154.3
[M-H]- 215.14413 154.2
[M+Na-2H]- 237.12608 158.1
[M]+ 216.15086 154.0
[M]- 216.15196 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe